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- W2005347788 abstract "In the present study, a variational path integral molecular dynamics method developed by the author [Chem. Phys. Lett. 482, 165 (2009)] is applied to a water molecule on the adiabatic potential energy surface. The method numerically generates an exact wavefunction using a trial wavefunction of the target system. It has been shown that even if a poor trial wavefunction is employed, the exact quantum distribution is numerically extracted, demonstrating the robustness of the variational path integral method." @default.
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- W2005347788 date "2013-08-12" @default.
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- W2005347788 title "Variational path integral molecular dynamics study of a water molecule" @default.
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- W2005347788 doi "https://doi.org/10.1088/1742-6596/454/1/012023" @default.
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